REMARK  Name = BDB012924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367  -2.028  -0.174  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.848  -0.595  -0.462  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.289  -0.622  -0.215  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -3.256   0.206  -0.764  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -4.436  -0.146  -0.771  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.687  -1.912   0.319  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -1.401  -2.527   0.834  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.855   1.472  -1.326  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -1.824   2.271  -0.920  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -1.160   2.103  -0.172  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -1.712   3.423  -1.601  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -2.747   3.398  -2.452  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.483   2.197  -2.321  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.997   4.553  -3.380  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.394   5.149  -3.176  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -2.795   4.153  -4.847  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        2.076  -1.728  -0.380  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1        0.978  -2.124   0.347  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.151  -2.680   1.178  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        1.970  -1.139  -1.451  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1        3.652  -2.485   1.500  0.00  0.00    +0.133 A 
ATOM     22  C   LIG    1        3.425  -2.067   0.179  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1        4.522  -1.951  -0.691  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        5.812  -2.275  -0.263  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.020  -2.725   1.037  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.942  -2.840   1.915  0.00  0.00    +0.046 A 
BRANCH  21  27
ATOM     27  O   LIG    1        2.598  -2.608   2.373  0.00  0.00    -0.491 OA
BRANCH  27  28
ATOM     28  C   LIG    1        2.756  -1.820   3.563  0.00  0.00    +0.229 C 
BRANCH  28  30
ATOM     29  C   LIG    1        1.501  -0.237   5.061  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        1.466  -1.047   3.777  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 7